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	hartrees
Energy at 0K	-188.869637
Energy at 298.15K	-188.872410
HF Energy	-188.493613
Nuclear repulsion energy	68.985715

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3160	3002	9.42
2	A₁	1589	1510	0.91
3	A₁	1115	1059	6.64
4	A₁	687	652	1.51
5	A₂	996	946	0.00
6	B₁	3280	3116	29.79
7	B₁	1161	1103	5.78
8	B₂	1283	1219	0.47
9	B₂	863	820	27.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.765
H2	0.929	0.000	1.329
H3	-0.929	0.000	1.329
O4	0.000	0.825	-0.453
O5	0.000	-0.825	-0.453

	C1	H2	H3	O4	O5
C1		1.0872	1.0872	1.4712	1.4712
H2	1.0872		1.8589	2.1729	2.1729
H3	1.0872	1.8589		2.1729	2.1729
O4	1.4712	2.1729	2.1729		1.6491
O5	1.4712	2.1729	2.1729	1.6491

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	O5	55.914	C1	O5	O4	55.914
H2	C1	H3	117.490	H2	C1	O4	115.449
H2	C1	O5	115.449	H3	C1	O4	115.449
H3	C1	O5	115.449	O4	C1	O5	68.173

All results from a given calculation for CH₂O₂ (Dioxirane)

using model chemistry: MP2=FULL/6-31G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH2O2 (Dioxirane)

using model chemistry: MP2=FULL/6-31G

States and conformations

All results from a given calculation for CH₂O₂ (Dioxirane)